USER MOD reduce.3.24.130724 H: found=0, std=0, add=340, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 341 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= 0.236 K(o=0.24,f=-1.6!) USER MOD Single : A 1 HIS N :NH3+ 157:sc= 0.494 (180deg=0.258) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0122 K(o=-0.012,f=-2!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.877 K(o=0.88,f=-5.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.02) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 11.955 -7.176 -20.224 1.00 0.00 N ATOM 2 CA HIS A 1 13.211 -6.797 -19.529 1.00 0.00 C ATOM 3 C HIS A 1 13.466 -7.711 -18.332 1.00 0.00 C ATOM 4 O HIS A 1 12.524 -8.118 -17.649 1.00 0.00 O ATOM 5 CB HIS A 1 13.190 -5.324 -19.080 1.00 0.00 C ATOM 6 CG HIS A 1 13.119 -4.340 -20.226 1.00 0.00 C ATOM 7 ND1 HIS A 1 12.109 -4.290 -21.193 1.00 0.00 N ATOM 8 CD2 HIS A 1 14.030 -3.359 -20.491 1.00 0.00 C ATOM 9 CE1 HIS A 1 12.433 -3.275 -22.016 1.00 0.00 C ATOM 10 NE2 HIS A 1 13.582 -2.701 -21.618 1.00 0.00 N ATOM 0 H1 HIS A 1 11.594 -6.360 -20.758 1.00 0.00 H new ATOM 0 H2 HIS A 1 12.144 -7.962 -20.879 1.00 0.00 H new ATOM 0 H3 HIS A 1 11.246 -7.473 -19.523 1.00 0.00 H new ATOM 0 HA HIS A 1 14.026 -6.918 -20.243 1.00 0.00 H new ATOM 0 HB2 HIS A 1 12.334 -5.166 -18.423 1.00 0.00 H new ATOM 0 HB3 HIS A 1 14.085 -5.120 -18.492 1.00 0.00 H new ATOM 0 HD2 HIS A 1 14.926 -3.141 -19.929 1.00 0.00 H new ATOM 0 HE1 HIS A 1 11.853 -2.966 -22.873 1.00 0.00 H new ATOM 0 HE2 HIS A 1 14.044 -1.913 -22.072 1.00 0.00 H new ATOM 20 N SER A 2 14.738 -8.029 -18.062 1.00 0.00 N ATOM 21 CA SER A 2 15.170 -8.933 -16.972 1.00 0.00 C ATOM 22 C SER A 2 16.416 -8.450 -16.202 1.00 0.00 C ATOM 23 O SER A 2 16.918 -9.143 -15.315 1.00 0.00 O ATOM 24 CB SER A 2 15.393 -10.344 -17.536 1.00 0.00 C ATOM 25 OG SER A 2 16.373 -10.335 -18.565 1.00 0.00 O ATOM 0 H SER A 2 15.519 -7.660 -18.604 1.00 0.00 H new ATOM 0 HA SER A 2 14.365 -8.939 -16.237 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.708 -11.013 -16.735 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.454 -10.735 -17.927 1.00 0.00 H new ATOM 0 HG SER A 2 16.498 -11.245 -18.906 1.00 0.00 H new ATOM 31 N ASP A 3 16.916 -7.251 -16.517 1.00 0.00 N ATOM 32 CA ASP A 3 18.180 -6.683 -16.016 1.00 0.00 C ATOM 33 C ASP A 3 18.189 -6.308 -14.518 1.00 0.00 C ATOM 34 O ASP A 3 19.255 -6.209 -13.904 1.00 0.00 O ATOM 35 CB ASP A 3 18.483 -5.421 -16.832 1.00 0.00 C ATOM 36 CG ASP A 3 18.813 -5.741 -18.298 1.00 0.00 C ATOM 37 OD1 ASP A 3 20.002 -5.994 -18.612 1.00 0.00 O ATOM 38 OD2 ASP A 3 17.882 -5.739 -19.139 1.00 0.00 O ATOM 0 H ASP A 3 16.433 -6.619 -17.156 1.00 0.00 H new ATOM 0 HA ASP A 3 18.931 -7.465 -16.128 1.00 0.00 H new ATOM 0 HB2 ASP A 3 17.624 -4.751 -16.793 1.00 0.00 H new ATOM 0 HB3 ASP A 3 19.322 -4.891 -16.380 1.00 0.00 H new ATOM 43 N GLY A 4 17.013 -6.081 -13.931 1.00 0.00 N ATOM 44 CA GLY A 4 16.803 -5.576 -12.583 1.00 0.00 C ATOM 45 C GLY A 4 15.332 -5.719 -12.218 1.00 0.00 C ATOM 46 O GLY A 4 14.674 -4.740 -11.870 1.00 0.00 O ATOM 0 H GLY A 4 16.133 -6.257 -14.416 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.421 -6.128 -11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.105 -4.530 -12.522 1.00 0.00 H new ATOM 50 N ILE A 5 14.794 -6.939 -12.331 1.00 0.00 N ATOM 51 CA ILE A 5 13.470 -7.315 -11.832 1.00 0.00 C ATOM 52 C ILE A 5 13.315 -6.905 -10.364 1.00 0.00 C ATOM 53 O ILE A 5 12.300 -6.350 -9.945 1.00 0.00 O ATOM 54 CB ILE A 5 13.264 -8.818 -12.074 1.00 0.00 C ATOM 55 CG1 ILE A 5 13.077 -8.999 -13.597 1.00 0.00 C ATOM 56 CG2 ILE A 5 12.089 -9.351 -11.248 1.00 0.00 C ATOM 57 CD1 ILE A 5 12.681 -10.405 -14.022 1.00 0.00 C ATOM 0 H ILE A 5 15.282 -7.711 -12.785 1.00 0.00 H new ATOM 0 HA ILE A 5 12.686 -6.783 -12.371 1.00 0.00 H new ATOM 0 HB ILE A 5 14.123 -9.403 -11.745 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.315 -8.301 -13.942 1.00 0.00 H new ATOM 0 HG13 ILE A 5 14.006 -8.730 -14.099 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.965 -10.417 -11.438 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.287 -9.192 -10.188 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.178 -8.824 -11.530 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.572 -10.440 -15.106 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.453 -11.110 -13.712 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.735 -10.674 -13.553 1.00 0.00 H new ATOM 69 N PHE A 6 14.390 -7.102 -9.609 1.00 0.00 N ATOM 70 CA PHE A 6 14.563 -6.714 -8.218 1.00 0.00 C ATOM 71 C PHE A 6 14.526 -5.191 -7.998 1.00 0.00 C ATOM 72 O PHE A 6 14.225 -4.729 -6.897 1.00 0.00 O ATOM 73 CB PHE A 6 15.915 -7.289 -7.792 1.00 0.00 C ATOM 74 CG PHE A 6 16.043 -8.795 -7.959 1.00 0.00 C ATOM 75 CD1 PHE A 6 15.282 -9.662 -7.151 1.00 0.00 C ATOM 76 CD2 PHE A 6 16.895 -9.331 -8.945 1.00 0.00 C ATOM 77 CE1 PHE A 6 15.369 -11.055 -7.329 1.00 0.00 C ATOM 78 CE2 PHE A 6 16.983 -10.724 -9.122 1.00 0.00 C ATOM 79 CZ PHE A 6 16.219 -11.586 -8.316 1.00 0.00 C ATOM 0 H PHE A 6 15.218 -7.568 -9.979 1.00 0.00 H new ATOM 0 HA PHE A 6 13.737 -7.101 -7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.700 -6.804 -8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 6 16.089 -7.036 -6.746 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.629 -9.256 -6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 6 17.482 -8.671 -9.566 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.783 -11.716 -6.708 1.00 0.00 H new ATOM 0 HE2 PHE A 6 17.638 -11.131 -9.878 1.00 0.00 H new ATOM 0 HZ PHE A 6 16.285 -12.655 -8.455 1.00 0.00 H new ATOM 89 N THR A 7 14.802 -4.409 -9.048 1.00 0.00 N ATOM 90 CA THR A 7 14.822 -2.931 -9.028 1.00 0.00 C ATOM 91 C THR A 7 13.457 -2.310 -9.367 1.00 0.00 C ATOM 92 O THR A 7 13.269 -1.101 -9.226 1.00 0.00 O ATOM 93 CB THR A 7 15.913 -2.393 -9.984 1.00 0.00 C ATOM 94 OG1 THR A 7 17.076 -3.202 -9.946 1.00 0.00 O ATOM 95 CG2 THR A 7 16.391 -0.978 -9.653 1.00 0.00 C ATOM 0 H THR A 7 15.025 -4.793 -9.966 1.00 0.00 H new ATOM 0 HA THR A 7 15.057 -2.633 -8.006 1.00 0.00 H new ATOM 0 HB THR A 7 15.428 -2.400 -10.960 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.747 -2.839 -10.561 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.155 -0.675 -10.369 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.549 -0.288 -9.707 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.810 -0.962 -8.647 1.00 0.00 H new ATOM 103 N ASP A 8 12.476 -3.126 -9.765 1.00 0.00 N ATOM 104 CA ASP A 8 11.150 -2.678 -10.230 1.00 0.00 C ATOM 105 C ASP A 8 9.982 -3.402 -9.549 1.00 0.00 C ATOM 106 O ASP A 8 8.917 -2.821 -9.348 1.00 0.00 O ATOM 107 CB ASP A 8 11.120 -2.788 -11.755 1.00 0.00 C ATOM 108 CG ASP A 8 9.892 -2.129 -12.396 1.00 0.00 C ATOM 109 OD1 ASP A 8 9.576 -0.956 -12.087 1.00 0.00 O ATOM 110 OD2 ASP A 8 9.223 -2.782 -13.230 1.00 0.00 O ATOM 0 H ASP A 8 12.579 -4.141 -9.775 1.00 0.00 H new ATOM 0 HA ASP A 8 11.005 -1.638 -9.938 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.021 -2.329 -12.161 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.144 -3.841 -12.035 1.00 0.00 H new ATOM 115 N SER A 9 10.194 -4.637 -9.100 1.00 0.00 N ATOM 116 CA SER A 9 9.253 -5.338 -8.216 1.00 0.00 C ATOM 117 C SER A 9 9.228 -4.641 -6.841 1.00 0.00 C ATOM 118 O SER A 9 8.209 -4.625 -6.153 1.00 0.00 O ATOM 119 CB SER A 9 9.655 -6.812 -8.091 1.00 0.00 C ATOM 120 OG SER A 9 8.631 -7.565 -7.464 1.00 0.00 O ATOM 0 H SER A 9 11.022 -5.184 -9.336 1.00 0.00 H new ATOM 0 HA SER A 9 8.248 -5.301 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.860 -7.222 -9.080 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.577 -6.894 -7.515 1.00 0.00 H new ATOM 0 HG SER A 9 8.909 -8.502 -7.396 1.00 0.00 H new ATOM 126 N TYR A 10 10.324 -3.955 -6.486 1.00 0.00 N ATOM 127 CA TYR A 10 10.393 -3.051 -5.334 1.00 0.00 C ATOM 128 C TYR A 10 9.378 -1.904 -5.465 1.00 0.00 C ATOM 129 O TYR A 10 8.657 -1.579 -4.519 1.00 0.00 O ATOM 130 CB TYR A 10 11.817 -2.494 -5.235 1.00 0.00 C ATOM 131 CG TYR A 10 12.049 -1.610 -4.024 1.00 0.00 C ATOM 132 CD1 TYR A 10 12.088 -2.182 -2.736 1.00 0.00 C ATOM 133 CD2 TYR A 10 12.216 -0.218 -4.180 1.00 0.00 C ATOM 134 CE1 TYR A 10 12.291 -1.364 -1.607 1.00 0.00 C ATOM 135 CE2 TYR A 10 12.423 0.600 -3.053 1.00 0.00 C ATOM 136 CZ TYR A 10 12.459 0.028 -1.762 1.00 0.00 C ATOM 137 OH TYR A 10 12.660 0.811 -0.667 1.00 0.00 O ATOM 0 H TYR A 10 11.202 -4.016 -7.002 1.00 0.00 H new ATOM 0 HA TYR A 10 10.144 -3.604 -4.429 1.00 0.00 H new ATOM 0 HB2 TYR A 10 12.521 -3.326 -5.205 1.00 0.00 H new ATOM 0 HB3 TYR A 10 12.037 -1.923 -6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 10 11.962 -3.248 -2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 10 12.185 0.221 -5.166 1.00 0.00 H new ATOM 0 HE1 TYR A 10 12.318 -1.804 -0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.554 1.665 -3.176 1.00 0.00 H new ATOM 0 HH TYR A 10 12.758 1.745 -0.946 1.00 0.00 H new ATOM 147 N SER A 11 9.272 -1.329 -6.668 1.00 0.00 N ATOM 148 CA SER A 11 8.286 -0.309 -7.016 1.00 0.00 C ATOM 149 C SER A 11 6.846 -0.844 -7.089 1.00 0.00 C ATOM 150 O SER A 11 5.914 -0.079 -6.839 1.00 0.00 O ATOM 151 CB SER A 11 8.703 0.348 -8.332 1.00 0.00 C ATOM 152 OG SER A 11 9.911 1.070 -8.150 1.00 0.00 O ATOM 0 H SER A 11 9.888 -1.569 -7.445 1.00 0.00 H new ATOM 0 HA SER A 11 8.272 0.429 -6.214 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.836 -0.412 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.917 1.019 -8.679 1.00 0.00 H new ATOM 0 HG SER A 11 10.174 1.487 -8.997 1.00 0.00 H new ATOM 158 N ARG A 12 6.626 -2.142 -7.359 1.00 0.00 N ATOM 159 CA ARG A 12 5.304 -2.788 -7.234 1.00 0.00 C ATOM 160 C ARG A 12 4.794 -2.838 -5.796 1.00 0.00 C ATOM 161 O ARG A 12 3.601 -2.635 -5.570 1.00 0.00 O ATOM 162 CB ARG A 12 5.316 -4.202 -7.840 1.00 0.00 C ATOM 163 CG ARG A 12 5.565 -4.300 -9.345 1.00 0.00 C ATOM 164 CD ARG A 12 4.624 -3.402 -10.153 1.00 0.00 C ATOM 165 NE ARG A 12 5.240 -2.099 -10.484 1.00 0.00 N ATOM 166 CZ ARG A 12 6.267 -1.918 -11.296 1.00 0.00 C ATOM 167 NH1 ARG A 12 6.730 -2.878 -12.041 1.00 0.00 N ATOM 168 NH2 ARG A 12 6.865 -0.765 -11.368 1.00 0.00 N ATOM 0 H ARG A 12 7.361 -2.776 -7.671 1.00 0.00 H new ATOM 0 HA ARG A 12 4.612 -2.162 -7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.082 -4.785 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.358 -4.674 -7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.598 -4.024 -9.558 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.439 -5.334 -9.665 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.340 -3.912 -11.074 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.708 -3.235 -9.586 1.00 0.00 H new ATOM 0 HE ARG A 12 4.838 -1.269 -10.048 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.299 -3.802 -12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.524 -2.707 -12.658 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.542 0.014 -10.793 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.656 -0.640 -11.999 1.00 0.00 H new ATOM 182 N TYR A 13 5.677 -3.039 -4.818 1.00 0.00 N ATOM 183 CA TYR A 13 5.296 -3.072 -3.408 1.00 0.00 C ATOM 184 C TYR A 13 4.727 -1.738 -2.897 1.00 0.00 C ATOM 185 O TYR A 13 3.875 -1.738 -2.008 1.00 0.00 O ATOM 186 CB TYR A 13 6.493 -3.506 -2.549 1.00 0.00 C ATOM 187 CG TYR A 13 7.197 -4.803 -2.925 1.00 0.00 C ATOM 188 CD1 TYR A 13 6.483 -5.907 -3.442 1.00 0.00 C ATOM 189 CD2 TYR A 13 8.587 -4.909 -2.722 1.00 0.00 C ATOM 190 CE1 TYR A 13 7.160 -7.091 -3.789 1.00 0.00 C ATOM 191 CE2 TYR A 13 9.270 -6.092 -3.068 1.00 0.00 C ATOM 192 CZ TYR A 13 8.559 -7.183 -3.611 1.00 0.00 C ATOM 193 OH TYR A 13 9.221 -8.325 -3.942 1.00 0.00 O ATOM 0 H TYR A 13 6.674 -3.183 -4.981 1.00 0.00 H new ATOM 0 HA TYR A 13 4.491 -3.802 -3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.231 -2.704 -2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.152 -3.596 -1.518 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.413 -5.842 -3.572 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.132 -4.079 -2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.610 -7.929 -4.191 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.337 -6.164 -2.918 1.00 0.00 H new ATOM 0 HH TYR A 13 10.177 -8.215 -3.756 1.00 0.00 H new ATOM 203 N ARG A 14 5.108 -0.600 -3.499 1.00 0.00 N ATOM 204 CA ARG A 14 4.540 0.731 -3.202 1.00 0.00 C ATOM 205 C ARG A 14 3.015 0.779 -3.356 1.00 0.00 C ATOM 206 O ARG A 14 2.334 1.450 -2.580 1.00 0.00 O ATOM 207 CB ARG A 14 5.191 1.787 -4.096 1.00 0.00 C ATOM 208 CG ARG A 14 6.715 1.847 -3.915 1.00 0.00 C ATOM 209 CD ARG A 14 7.238 2.934 -4.846 1.00 0.00 C ATOM 210 NE ARG A 14 8.712 3.045 -4.825 1.00 0.00 N ATOM 211 CZ ARG A 14 9.448 3.768 -3.998 1.00 0.00 C ATOM 212 NH1 ARG A 14 8.933 4.451 -3.015 1.00 0.00 N ATOM 213 NH2 ARG A 14 10.739 3.825 -4.154 1.00 0.00 N ATOM 0 H ARG A 14 5.831 -0.575 -4.218 1.00 0.00 H new ATOM 0 HA ARG A 14 4.758 0.943 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.960 1.569 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.762 2.764 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.971 2.072 -2.880 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.169 0.885 -4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.908 2.724 -5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.802 3.891 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 14 9.217 2.504 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.925 4.441 -2.860 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.538 4.996 -2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.184 3.312 -4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.306 4.383 -3.515 1.00 0.00 H new ATOM 227 N LYS A 15 2.469 0.030 -4.323 1.00 0.00 N ATOM 228 CA LYS A 15 1.022 -0.082 -4.578 1.00 0.00 C ATOM 229 C LYS A 15 0.299 -0.886 -3.495 1.00 0.00 C ATOM 230 O LYS A 15 -0.825 -0.548 -3.130 1.00 0.00 O ATOM 231 CB LYS A 15 0.770 -0.707 -5.965 1.00 0.00 C ATOM 232 CG LYS A 15 1.508 -0.031 -7.138 1.00 0.00 C ATOM 233 CD LYS A 15 1.254 1.478 -7.293 1.00 0.00 C ATOM 234 CE LYS A 15 -0.230 1.793 -7.525 1.00 0.00 C ATOM 235 NZ LYS A 15 -0.446 3.244 -7.764 1.00 0.00 N ATOM 0 H LYS A 15 3.031 -0.528 -4.965 1.00 0.00 H new ATOM 0 HA LYS A 15 0.613 0.928 -4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.062 -1.757 -5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.301 -0.681 -6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.579 -0.191 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.217 -0.528 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.599 1.997 -6.399 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.840 1.860 -8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.595 1.224 -8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.811 1.475 -6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.459 3.424 -7.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.120 3.784 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.089 3.541 -8.605 1.00 0.00 H new ATOM 249 N GLN A 16 0.954 -1.905 -2.934 1.00 0.00 N ATOM 250 CA GLN A 16 0.445 -2.655 -1.780 1.00 0.00 C ATOM 251 C GLN A 16 0.470 -1.799 -0.508 1.00 0.00 C ATOM 252 O GLN A 16 -0.489 -1.806 0.258 1.00 0.00 O ATOM 253 CB GLN A 16 1.272 -3.937 -1.575 1.00 0.00 C ATOM 254 CG GLN A 16 1.193 -4.927 -2.745 1.00 0.00 C ATOM 255 CD GLN A 16 -0.095 -5.751 -2.759 1.00 0.00 C ATOM 256 OE1 GLN A 16 -1.133 -5.390 -2.216 1.00 0.00 O ATOM 257 NE2 GLN A 16 -0.076 -6.921 -3.356 1.00 0.00 N ATOM 0 H GLN A 16 1.859 -2.236 -3.269 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.591 -2.927 -1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.315 -3.662 -1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.931 -4.435 -0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.273 -4.377 -3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.047 -5.603 -2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.775 -7.245 -3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.912 -7.505 -3.360 1.00 0.00 H new ATOM 266 N MET A 17 1.515 -0.996 -0.298 1.00 0.00 N ATOM 267 CA MET A 17 1.611 -0.079 0.845 1.00 0.00 C ATOM 268 C MET A 17 0.513 0.989 0.824 1.00 0.00 C ATOM 269 O MET A 17 -0.082 1.300 1.854 1.00 0.00 O ATOM 270 CB MET A 17 2.987 0.599 0.824 1.00 0.00 C ATOM 271 CG MET A 17 4.109 -0.400 1.088 1.00 0.00 C ATOM 272 SD MET A 17 5.775 0.314 1.016 1.00 0.00 S ATOM 273 CE MET A 17 6.754 -1.206 1.159 1.00 0.00 C ATOM 0 H MET A 17 2.324 -0.962 -0.918 1.00 0.00 H new ATOM 0 HA MET A 17 1.481 -0.662 1.757 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.144 1.076 -0.144 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.016 1.387 1.576 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.959 -0.845 2.072 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.040 -1.207 0.359 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.815 -0.959 1.133 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.520 -1.702 2.101 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.516 -1.872 0.329 1.00 0.00 H new ATOM 283 N ALA A 18 0.190 1.499 -0.364 1.00 0.00 N ATOM 284 CA ALA A 18 -0.943 2.401 -0.590 1.00 0.00 C ATOM 285 C ALA A 18 -2.301 1.773 -0.205 1.00 0.00 C ATOM 286 O ALA A 18 -3.201 2.471 0.269 1.00 0.00 O ATOM 287 CB ALA A 18 -0.923 2.867 -2.051 1.00 0.00 C ATOM 0 H ALA A 18 0.717 1.294 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.831 3.262 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.762 3.539 -2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.011 3.391 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.004 2.002 -2.710 1.00 0.00 H new ATOM 293 N VAL A 19 -2.438 0.449 -0.350 1.00 0.00 N ATOM 294 CA VAL A 19 -3.602 -0.323 0.116 1.00 0.00 C ATOM 295 C VAL A 19 -3.582 -0.509 1.638 1.00 0.00 C ATOM 296 O VAL A 19 -4.594 -0.233 2.278 1.00 0.00 O ATOM 297 CB VAL A 19 -3.702 -1.664 -0.639 1.00 0.00 C ATOM 298 CG1 VAL A 19 -4.740 -2.614 -0.039 1.00 0.00 C ATOM 299 CG2 VAL A 19 -4.077 -1.401 -2.101 1.00 0.00 C ATOM 0 H VAL A 19 -1.730 -0.129 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.503 0.246 -0.112 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.726 -2.142 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.762 -3.539 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.475 -2.836 0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.723 -2.144 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.148 -2.349 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.038 -0.888 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.313 -0.779 -2.566 1.00 0.00 H new ATOM 309 N LYS A 20 -2.444 -0.866 2.257 1.00 0.00 N ATOM 310 CA LYS A 20 -2.280 -0.905 3.730 1.00 0.00 C ATOM 311 C LYS A 20 -2.710 0.411 4.379 1.00 0.00 C ATOM 312 O LYS A 20 -3.410 0.419 5.394 1.00 0.00 O ATOM 313 CB LYS A 20 -0.813 -1.196 4.113 1.00 0.00 C ATOM 314 CG LYS A 20 -0.483 -2.665 4.211 1.00 0.00 C ATOM 315 CD LYS A 20 -0.461 -3.349 2.850 1.00 0.00 C ATOM 316 CE LYS A 20 -0.478 -4.813 3.211 1.00 0.00 C ATOM 317 NZ LYS A 20 -0.392 -5.702 2.025 1.00 0.00 N ATOM 0 H LYS A 20 -1.602 -1.139 1.750 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.921 -1.706 4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.157 -0.736 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.597 -0.721 5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.489 -2.785 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.216 -3.157 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.324 -3.072 2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.428 -3.084 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.356 -5.027 3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.393 -5.036 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.408 -6.695 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.201 -5.522 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.493 -5.513 1.513 1.00 0.00 H new ATOM 331 N LYS A 21 -2.323 1.523 3.752 1.00 0.00 N ATOM 332 CA LYS A 21 -2.694 2.890 4.160 1.00 0.00 C ATOM 333 C LYS A 21 -4.195 3.178 4.028 1.00 0.00 C ATOM 334 O LYS A 21 -4.738 3.903 4.861 1.00 0.00 O ATOM 335 CB LYS A 21 -1.856 3.898 3.362 1.00 0.00 C ATOM 336 CG LYS A 21 -0.391 3.887 3.833 1.00 0.00 C ATOM 337 CD LYS A 21 0.513 4.569 2.800 1.00 0.00 C ATOM 338 CE LYS A 21 1.992 4.550 3.210 1.00 0.00 C ATOM 339 NZ LYS A 21 2.267 5.428 4.379 1.00 0.00 N ATOM 0 H LYS A 21 -1.727 1.503 2.924 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.476 2.990 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.903 3.656 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.273 4.898 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.308 4.399 4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.062 2.860 3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.400 4.070 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.190 5.601 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.287 3.528 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.604 4.870 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.278 5.382 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.011 6.408 4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.704 5.109 5.193 1.00 0.00 H new ATOM 353 N TYR A 22 -4.888 2.582 3.055 1.00 0.00 N ATOM 354 CA TYR A 22 -6.353 2.634 2.964 1.00 0.00 C ATOM 355 C TYR A 22 -7.039 1.794 4.055 1.00 0.00 C ATOM 356 O TYR A 22 -7.946 2.310 4.705 1.00 0.00 O ATOM 357 CB TYR A 22 -6.827 2.236 1.561 1.00 0.00 C ATOM 358 CG TYR A 22 -8.325 2.004 1.464 1.00 0.00 C ATOM 359 CD1 TYR A 22 -9.209 3.100 1.449 1.00 0.00 C ATOM 360 CD2 TYR A 22 -8.834 0.689 1.451 1.00 0.00 C ATOM 361 CE1 TYR A 22 -10.601 2.884 1.424 1.00 0.00 C ATOM 362 CE2 TYR A 22 -10.225 0.468 1.427 1.00 0.00 C ATOM 363 CZ TYR A 22 -11.112 1.567 1.416 1.00 0.00 C ATOM 364 OH TYR A 22 -12.457 1.365 1.397 1.00 0.00 O ATOM 0 H TYR A 22 -4.450 2.048 2.305 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.651 3.668 3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.543 3.018 0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.307 1.328 1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.820 4.107 1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.155 -0.151 1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.278 3.726 1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -10.612 -0.540 1.417 1.00 0.00 H new ATOM 0 HH TYR A 22 -12.643 0.403 1.393 1.00 0.00 H new ATOM 374 N LEU A 23 -6.593 0.562 4.342 1.00 0.00 N ATOM 375 CA LEU A 23 -7.088 -0.203 5.498 1.00 0.00 C ATOM 376 C LEU A 23 -6.936 0.566 6.821 1.00 0.00 C ATOM 377 O LEU A 23 -7.863 0.611 7.631 1.00 0.00 O ATOM 378 CB LEU A 23 -6.424 -1.596 5.584 1.00 0.00 C ATOM 379 CG LEU A 23 -6.944 -2.692 4.630 1.00 0.00 C ATOM 380 CD1 LEU A 23 -8.463 -2.688 4.471 1.00 0.00 C ATOM 381 CD2 LEU A 23 -6.352 -2.587 3.232 1.00 0.00 C ATOM 0 H LEU A 23 -5.889 0.073 3.789 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.156 -0.349 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.356 -1.472 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.534 -1.959 6.606 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.626 -3.618 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.759 -3.483 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.931 -2.851 5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.784 -1.727 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.754 -3.383 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.610 -1.620 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.268 -2.682 3.288 1.00 0.00 H new ATOM 393 N ALA A 24 -5.803 1.240 7.007 1.00 0.00 N ATOM 394 CA ALA A 24 -5.574 2.128 8.147 1.00 0.00 C ATOM 395 C ALA A 24 -6.488 3.369 8.149 1.00 0.00 C ATOM 396 O ALA A 24 -6.919 3.815 9.214 1.00 0.00 O ATOM 397 CB ALA A 24 -4.093 2.523 8.172 1.00 0.00 C ATOM 0 H ALA A 24 -5.011 1.185 6.366 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.832 1.584 9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.907 3.186 9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.479 1.628 8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.838 3.037 7.245 1.00 0.00 H new ATOM 403 N ALA A 25 -6.832 3.909 6.976 1.00 0.00 N ATOM 404 CA ALA A 25 -7.778 5.016 6.840 1.00 0.00 C ATOM 405 C ALA A 25 -9.213 4.656 7.268 1.00 0.00 C ATOM 406 O ALA A 25 -9.898 5.509 7.837 1.00 0.00 O ATOM 407 CB ALA A 25 -7.745 5.535 5.395 1.00 0.00 C ATOM 0 H ALA A 25 -6.456 3.585 6.085 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.461 5.802 7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.449 6.361 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.740 5.882 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.023 4.731 4.713 1.00 0.00 H new ATOM 413 N VAL A 26 -9.670 3.411 7.056 1.00 0.00 N ATOM 414 CA VAL A 26 -11.020 2.977 7.504 1.00 0.00 C ATOM 415 C VAL A 26 -11.070 2.840 9.023 1.00 0.00 C ATOM 416 O VAL A 26 -12.024 3.286 9.661 1.00 0.00 O ATOM 417 CB VAL A 26 -11.587 1.718 6.797 1.00 0.00 C ATOM 418 CG1 VAL A 26 -10.920 1.449 5.453 1.00 0.00 C ATOM 419 CG2 VAL A 26 -11.519 0.392 7.573 1.00 0.00 C ATOM 0 H VAL A 26 -9.134 2.685 6.581 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.690 3.778 7.191 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.636 1.999 6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.355 0.557 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.076 2.302 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.851 1.296 5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.947 -0.406 6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.479 0.157 7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.082 0.485 8.502 1.00 0.00 H new ATOM 429 N LEU A 27 -10.000 2.301 9.614 1.00 0.00 N ATOM 430 CA LEU A 27 -9.783 2.288 11.066 1.00 0.00 C ATOM 431 C LEU A 27 -9.721 3.717 11.639 1.00 0.00 C ATOM 432 O LEU A 27 -10.234 3.978 12.727 1.00 0.00 O ATOM 433 CB LEU A 27 -8.488 1.506 11.342 1.00 0.00 C ATOM 434 CG LEU A 27 -8.656 -0.011 11.558 1.00 0.00 C ATOM 435 CD1 LEU A 27 -9.575 -0.726 10.565 1.00 0.00 C ATOM 436 CD2 LEU A 27 -7.278 -0.656 11.436 1.00 0.00 C ATOM 0 H LEU A 27 -9.248 1.854 9.090 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.620 1.800 11.565 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.806 1.662 10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.011 1.930 12.226 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.120 -0.117 12.539 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.620 -1.787 10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.576 -0.297 10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.185 -0.603 9.555 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.366 -1.732 11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.870 -0.459 10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.613 -0.238 12.192 1.00 0.00 H new ATOM 448 N GLY A 28 -9.175 4.663 10.871 1.00 0.00 N ATOM 449 CA GLY A 28 -9.193 6.098 11.162 1.00 0.00 C ATOM 450 C GLY A 28 -10.594 6.712 11.250 1.00 0.00 C ATOM 451 O GLY A 28 -10.809 7.590 12.087 1.00 0.00 O ATOM 0 H GLY A 28 -8.692 4.443 10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.675 6.271 12.105 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.630 6.620 10.388 1.00 0.00 H new ATOM 455 N LYS A 29 -11.575 6.233 10.467 1.00 0.00 N ATOM 456 CA LYS A 29 -12.982 6.664 10.610 1.00 0.00 C ATOM 457 C LYS A 29 -13.560 6.218 11.956 1.00 0.00 C ATOM 458 O LYS A 29 -14.286 6.974 12.601 1.00 0.00 O ATOM 459 CB LYS A 29 -13.865 6.136 9.462 1.00 0.00 C ATOM 460 CG LYS A 29 -13.336 6.380 8.039 1.00 0.00 C ATOM 461 CD LYS A 29 -12.995 7.844 7.730 1.00 0.00 C ATOM 462 CE LYS A 29 -12.483 7.949 6.290 1.00 0.00 C ATOM 463 NZ LYS A 29 -12.128 9.346 5.934 1.00 0.00 N ATOM 0 H LYS A 29 -11.423 5.547 9.728 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.984 7.753 10.566 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.001 5.063 9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.850 6.596 9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.444 5.772 7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.082 6.035 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.877 8.471 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.238 8.208 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.609 7.309 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.247 7.582 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.786 9.378 4.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.968 9.952 6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.381 9.688 6.572 1.00 0.00 H new ATOM 477 N ARG A 30 -13.196 5.011 12.407 1.00 0.00 N ATOM 478 CA ARG A 30 -13.640 4.442 13.696 1.00 0.00 C ATOM 479 C ARG A 30 -12.950 5.086 14.900 1.00 0.00 C ATOM 480 O ARG A 30 -13.577 5.240 15.945 1.00 0.00 O ATOM 481 CB ARG A 30 -13.452 2.912 13.718 1.00 0.00 C ATOM 482 CG ARG A 30 -14.099 2.164 12.539 1.00 0.00 C ATOM 483 CD ARG A 30 -15.592 2.466 12.354 1.00 0.00 C ATOM 484 NE ARG A 30 -16.165 1.660 11.259 1.00 0.00 N ATOM 485 CZ ARG A 30 -17.379 1.768 10.750 1.00 0.00 C ATOM 486 NH1 ARG A 30 -18.247 2.638 11.184 1.00 0.00 N ATOM 487 NH2 ARG A 30 -17.752 0.990 9.775 1.00 0.00 N ATOM 0 H ARG A 30 -12.578 4.391 11.884 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.703 4.669 13.783 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.385 2.692 13.728 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.866 2.523 14.648 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.570 2.424 11.622 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.971 1.092 12.688 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.126 2.258 13.281 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.728 3.526 12.139 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.561 0.945 10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.999 3.269 11.946 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.174 2.687 10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.106 0.294 9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.690 1.076 9.384 1.00 0.00 H new ATOM 501 N TYR A 31 -11.708 5.543 14.750 1.00 0.00 N ATOM 502 CA TYR A 31 -10.990 6.309 15.779 1.00 0.00 C ATOM 503 C TYR A 31 -11.724 7.602 16.188 1.00 0.00 C ATOM 504 O TYR A 31 -11.686 7.995 17.357 1.00 0.00 O ATOM 505 CB TYR A 31 -9.567 6.603 15.284 1.00 0.00 C ATOM 506 CG TYR A 31 -8.683 7.294 16.307 1.00 0.00 C ATOM 507 CD1 TYR A 31 -8.073 6.540 17.331 1.00 0.00 C ATOM 508 CD2 TYR A 31 -8.481 8.687 16.242 1.00 0.00 C ATOM 509 CE1 TYR A 31 -7.263 7.178 18.291 1.00 0.00 C ATOM 510 CE2 TYR A 31 -7.673 9.328 17.202 1.00 0.00 C ATOM 511 CZ TYR A 31 -7.062 8.575 18.229 1.00 0.00 C ATOM 512 OH TYR A 31 -6.282 9.200 19.152 1.00 0.00 O ATOM 0 H TYR A 31 -11.162 5.392 13.902 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.945 5.701 16.683 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.096 5.666 14.988 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.626 7.226 14.392 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.227 5.472 17.379 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.946 9.264 15.456 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.796 6.599 19.074 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.521 10.396 17.153 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.252 10.160 18.959 1.00 0.00 H new ATOM 522 N LYS A 32 -12.456 8.226 15.254 1.00 0.00 N ATOM 523 CA LYS A 32 -13.317 9.400 15.515 1.00 0.00 C ATOM 524 C LYS A 32 -14.524 9.015 16.363 1.00 0.00 C ATOM 525 O LYS A 32 -14.794 9.605 17.408 1.00 0.00 O ATOM 526 CB LYS A 32 -13.800 10.027 14.199 1.00 0.00 C ATOM 527 CG LYS A 32 -12.668 10.428 13.240 1.00 0.00 C ATOM 528 CD LYS A 32 -13.239 10.702 11.844 1.00 0.00 C ATOM 529 CE LYS A 32 -14.063 11.996 11.779 1.00 0.00 C ATOM 530 NZ LYS A 32 -13.203 13.209 11.796 1.00 0.00 N ATOM 0 H LYS A 32 -12.470 7.928 14.279 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.718 10.129 16.060 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.457 9.320 13.692 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.397 10.910 14.428 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.159 11.316 13.615 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.924 9.633 13.189 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.420 10.762 11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.865 9.863 11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.669 11.994 10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.752 12.029 12.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.801 14.059 11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.643 13.226 12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.563 13.192 10.977 1.00 0.00 H new ATOM 544 N GLN A 33 -15.214 7.974 15.915 1.00 0.00 N ATOM 545 CA GLN A 33 -16.383 7.385 16.589 1.00 0.00 C ATOM 546 C GLN A 33 -16.098 6.988 18.045 1.00 0.00 C ATOM 547 O GLN A 33 -16.868 7.335 18.941 1.00 0.00 O ATOM 548 CB GLN A 33 -16.884 6.171 15.816 1.00 0.00 C ATOM 549 CG GLN A 33 -17.427 6.593 14.448 1.00 0.00 C ATOM 550 CD GLN A 33 -18.348 5.534 13.881 1.00 0.00 C ATOM 551 OE1 GLN A 33 -17.936 4.573 13.243 1.00 0.00 O ATOM 552 NE2 GLN A 33 -19.632 5.663 14.117 1.00 0.00 N ATOM 0 H GLN A 33 -14.975 7.496 15.046 1.00 0.00 H new ATOM 0 HA GLN A 33 -17.151 8.158 16.609 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.073 5.455 15.687 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -17.666 5.668 16.385 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -17.965 7.536 14.541 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.598 6.765 13.761 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -19.975 6.463 14.648 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -20.287 4.963 13.769 1.00 0.00 H new ATOM 561 N ARG A 34 -14.957 6.331 18.297 1.00 0.00 N ATOM 562 CA ARG A 34 -14.455 5.953 19.635 1.00 0.00 C ATOM 563 C ARG A 34 -14.206 7.130 20.591 1.00 0.00 C ATOM 564 O ARG A 34 -14.063 6.913 21.795 1.00 0.00 O ATOM 565 CB ARG A 34 -13.179 5.109 19.466 1.00 0.00 C ATOM 566 CG ARG A 34 -13.443 3.715 18.866 1.00 0.00 C ATOM 567 CD ARG A 34 -14.106 2.727 19.838 1.00 0.00 C ATOM 568 NE ARG A 34 -13.237 2.399 20.985 1.00 0.00 N ATOM 569 CZ ARG A 34 -13.563 1.664 22.035 1.00 0.00 C ATOM 570 NH1 ARG A 34 -14.742 1.124 22.165 1.00 0.00 N ATOM 571 NH2 ARG A 34 -12.698 1.453 22.985 1.00 0.00 N ATOM 0 H ARG A 34 -14.331 6.035 17.548 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.248 5.377 20.113 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.479 5.646 18.825 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.697 4.993 20.437 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.078 3.824 17.987 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.497 3.293 18.525 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.041 3.153 20.203 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.360 1.811 19.304 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.290 2.777 20.966 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -15.449 1.262 21.443 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.958 0.563 22.989 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.763 1.856 22.922 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.955 0.885 23.792 1.00 0.00 H new ATOM 585 N VAL A 35 -14.207 8.360 20.077 1.00 0.00 N ATOM 586 CA VAL A 35 -14.083 9.611 20.856 1.00 0.00 C ATOM 587 C VAL A 35 -15.427 10.343 20.944 1.00 0.00 C ATOM 588 O VAL A 35 -15.804 10.793 22.027 1.00 0.00 O ATOM 589 CB VAL A 35 -12.970 10.511 20.285 1.00 0.00 C ATOM 590 CG1 VAL A 35 -12.869 11.864 21.004 1.00 0.00 C ATOM 591 CG2 VAL A 35 -11.600 9.829 20.404 1.00 0.00 C ATOM 0 H VAL A 35 -14.297 8.528 19.075 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.794 9.350 21.874 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.239 10.679 19.242 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.068 12.454 20.558 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.813 12.400 20.905 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.654 11.700 22.060 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.831 10.484 19.994 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.384 9.627 21.453 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.611 8.891 19.849 1.00 0.00 H new ATOM 601 N LYS A 36 -16.214 10.386 19.858 1.00 0.00 N ATOM 602 CA LYS A 36 -17.603 10.899 19.859 1.00 0.00 C ATOM 603 C LYS A 36 -18.545 10.117 20.786 1.00 0.00 C ATOM 604 O LYS A 36 -19.486 10.686 21.339 1.00 0.00 O ATOM 605 CB LYS A 36 -18.149 10.964 18.418 1.00 0.00 C ATOM 606 CG LYS A 36 -17.902 12.317 17.726 1.00 0.00 C ATOM 607 CD LYS A 36 -16.424 12.695 17.556 1.00 0.00 C ATOM 608 CE LYS A 36 -16.316 14.051 16.849 1.00 0.00 C ATOM 609 NZ LYS A 36 -14.902 14.490 16.719 1.00 0.00 N ATOM 0 H LYS A 36 -15.905 10.063 18.941 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.567 11.908 20.270 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.687 10.173 17.827 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.220 10.764 18.435 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.372 12.297 16.743 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.398 13.099 18.301 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.936 12.742 18.530 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.907 11.930 16.977 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -16.769 13.983 15.860 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.880 14.799 17.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.867 15.411 16.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.478 14.579 17.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.370 13.788 16.165 1.00 0.00 H new ATOM 623 N ASN A 37 -18.238 8.844 21.024 1.00 0.00 N ATOM 624 CA ASN A 37 -18.881 7.963 22.010 1.00 0.00 C ATOM 625 C ASN A 37 -18.666 8.389 23.484 1.00 0.00 C ATOM 626 O ASN A 37 -19.337 7.876 24.383 1.00 0.00 O ATOM 627 CB ASN A 37 -18.363 6.533 21.749 1.00 0.00 C ATOM 628 CG ASN A 37 -19.065 5.473 22.584 1.00 0.00 C ATOM 629 OD1 ASN A 37 -20.280 5.322 22.550 1.00 0.00 O ATOM 630 ND2 ASN A 37 -18.329 4.689 23.341 1.00 0.00 N ATOM 0 H ASN A 37 -17.496 8.369 20.510 1.00 0.00 H new ATOM 0 HA ASN A 37 -19.961 8.025 21.878 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.490 6.296 20.693 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.294 6.499 21.957 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.770 3.957 23.898 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.317 4.813 23.371 1.00 0.00 H new ATOM 637 N LYS A 38 -17.741 9.325 23.738 1.00 0.00 N ATOM 638 CA LYS A 38 -17.271 9.749 25.074 1.00 0.00 C ATOM 639 C LYS A 38 -17.324 11.275 25.287 1.00 0.00 C ATOM 640 O LYS A 38 -16.894 11.779 26.324 1.00 0.00 O ATOM 641 CB LYS A 38 -15.846 9.204 25.305 1.00 0.00 C ATOM 642 CG LYS A 38 -15.753 7.669 25.210 1.00 0.00 C ATOM 643 CD LYS A 38 -14.345 7.131 25.509 1.00 0.00 C ATOM 644 CE LYS A 38 -13.950 7.333 26.978 1.00 0.00 C ATOM 645 NZ LYS A 38 -12.616 6.747 27.269 1.00 0.00 N ATOM 0 H LYS A 38 -17.276 9.834 22.986 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.955 9.330 25.812 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.173 9.647 24.571 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.499 9.521 26.288 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.461 7.224 25.909 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.051 7.354 24.210 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.304 6.069 25.266 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.621 7.633 24.867 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.939 8.398 27.210 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.699 6.874 27.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.380 6.901 28.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.635 5.726 27.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.898 7.203 26.670 1.00 0.00 H new HETATM 659 N NH2 A 39 -17.855 12.037 24.339 1.00 0.00 N TER 662 NH2 A 39